Linked Life Data

11604022

Source:http://linkedlifedata.com/resource/pubmed/id/11604022

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5
pubmed:dateCreated
2001-10-17
pubmed:abstractText
To investigate the description of molecular shape, a heterogeneous data set of 200 compounds was designed. The compounds included many disparate molecular shapes, and a total of 64 descriptors was calculated including topological indices, surface areas, molecular volumes, measures of molecular dimensions, and ratios of moments of inertia. Cluster analysis on the variables indicated that there are four major categories of steric descriptors, those for molecular bulk, dimensions, and two clusters representing varying aspects of shape. To describe molecular shape more efficiently, a novel linearity index based upon ratios of moments of inertia and the molecular weight is proposed.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:issn
0095-2338
pubmed:author
pubmed:issnType
Print
pubmed:volume
41
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1228-36
pubmed:dateRevised
2003-10-31
pubmed:articleTitle
A novel index for the description of molecular linearity.
pubmed:affiliation
School of Pharmacy and Chemistry, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, England.
pubmed:publicationType
Journal Article